Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8"
save_peak_list_1_2_3_4_5_6_7_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8
_Spectral_peak_list.Entry_ID 18863
_Spectral_peak_list.ID 8
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $methanol_H
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $methanol_25c
_Spectral_peak_list.Experiment_ID 15
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'Default list'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . . 3210.571 . . . . . . . 18863 8
2 . . H 1 1H . . 8250.825 . . . . . . . 18863 8
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18863 8
2 1.0 . . 18863 8
3 1.0 . . 18863 8
4 1.0 . . 18863 8
5 1.0 . . 18863 8
6 1.0 . . 18863 8
7 1.0 . . 18863 8
8 1.0 . . 18863 8
9 1.0 . . 18863 8
10 1.0 . . 18863 8
11 1.0 . . 18863 8
12 1.0 . . 18863 8
13 1.0 . . 18863 8
14 1.0 . . 18863 8
15 1.0 . . 18863 8
16 1.0 . . 18863 8
17 1.0 . . 18863 8
18 1.0 . . 18863 8
19 1.0 . . 18863 8
20 1.0 . . 18863 8
21 1.0 . . 18863 8
22 1.0 . . 18863 8
23 1.0 . . 18863 8
24 1.0 . . 18863 8
25 1.0 . . 18863 8
26 1.0 . . 18863 8
27 1.0 . . 18863 8
28 1.0 . . 18863 8
29 1.0 . . 18863 8
30 1.0 . . 18863 8
31 1.0 . . 18863 8
32 1.0 . . 18863 8
33 1.0 . . 18863 8
34 1.0 . . 18863 8
35 1.0 . . 18863 8
36 1.0 . . 18863 8
37 1.0 . . 18863 8
38 1.0 . . 18863 8
39 1.0 . . 18863 8
40 1.0 . . 18863 8
41 1.0 . . 18863 8
42 1.0 . . 18863 8
43 1.0 . . 18863 8
44 1.0 . . 18863 8
45 1.0 . . 18863 8
46 1.0 . . 18863 8
47 1.0 . . 18863 8
48 1.0 . . 18863 8
49 1.0 . . 18863 8
50 1.0 . . 18863 8
51 1.0 . . 18863 8
52 1.0 . . 18863 8
53 1.0 . . 18863 8
54 1.0 . . 18863 8
55 1.0 . . 18863 8
56 1.0 . . 18863 8
57 1.0 . . 18863 8
58 1.0 . . 18863 8
59 1.0 . . 18863 8
60 1.0 . . 18863 8
61 1.0 . . 18863 8
62 1.0 . . 18863 8
63 1.0 . . 18863 8
64 1.0 . . 18863 8
65 1.0 . . 18863 8
66 1.0 . . 18863 8
67 1.0 . . 18863 8
68 1.0 . . 18863 8
69 1.0 . . 18863 8
70 1.0 . . 18863 8
71 1.0 . . 18863 8
72 1.0 . . 18863 8
73 1.0 . . 18863 8
74 1.0 . . 18863 8
75 1.0 . . 18863 8
76 1.0 . . 18863 8
77 1.0 . . 18863 8
78 1.0 . . 18863 8
79 1.0 . . 18863 8
80 1.0 . . 18863 8
81 1.0 . . 18863 8
82 1.0 . . 18863 8
83 1.0 . . 18863 8
84 1.0 . . 18863 8
85 1.0 . . 18863 8
86 1.0 . . 18863 8
87 1.0 . . 18863 8
88 1.0 . . 18863 8
89 1.0 . . 18863 8
90 1.0 . . 18863 8
91 1.0 . . 18863 8
92 1.0 . . 18863 8
93 1.0 . . 18863 8
94 1.0 . . 18863 8
95 1.0 . . 18863 8
96 1.0 . . 18863 8
97 1.0 . . 18863 8
98 1.0 . . 18863 8
99 1.0 . . 18863 8
100 1.0 . . 18863 8
101 1.0 . . 18863 8
102 1.0 . . 18863 8
103 1.0 . . 18863 8
104 1.0 . . 18863 8
105 1.0 . . 18863 8
106 1.0 . . 18863 8
107 1.0 . . 18863 8
108 1.0 . . 18863 8
109 1.0 . . 18863 8
110 1.0 . . 18863 8
111 1.0 . . 18863 8
112 1.0 . . 18863 8
113 1.0 . . 18863 8
114 1.0 . . 18863 8
115 1.0 . . 18863 8
116 1.0 . . 18863 8
117 1.0 . . 18863 8
118 1.0 . . 18863 8
119 1.0 . . 18863 8
120 1.0 . . 18863 8
121 1.0 . . 18863 8
122 1.0 . . 18863 8
123 1.0 . . 18863 8
124 1.0 . . 18863 8
125 1.0 . . 18863 8
126 1.0 . . 18863 8
127 1.0 . . 18863 8
128 1.0 . . 18863 8
129 1.0 . . 18863 8
130 1.0 . . 18863 8
131 1.0 . . 18863 8
132 1.0 . . 18863 8
133 1.0 . . 18863 8
134 1.0 . . 18863 8
135 1.0 . . 18863 8
136 1.0 . . 18863 8
137 1.0 . . 18863 8
138 1.0 . . 18863 8
139 1.0 . . 18863 8
140 1.0 . . 18863 8
141 1.0 . . 18863 8
142 1.0 . . 18863 8
143 1.0 . . 18863 8
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 4356881.5000 . height 18863 8
1 34134530.5000 . volume 18863 8
2 2292102.2500 . height 18863 8
2 13063326.0547 . volume 18863 8
3 7753193.0000 . height 18863 8
3 50018933.0000 . volume 18863 8
4 13270291.0000 . height 18863 8
4 94495318.0000 . volume 18863 8
5 12431082.0000 . height 18863 8
5 92431995.0000 . volume 18863 8
6 5667473.0000 . height 18863 8
6 47515680.5000 . volume 18863 8
7 8054366.0000 . height 18863 8
7 60793506.5000 . volume 18863 8
8 9187022.0000 . height 18863 8
8 68410139.0000 . volume 18863 8
9 6111700.0000 . height 18863 8
9 47045994.0000 . volume 18863 8
10 3830489.2500 . height 18863 8
10 29680121.7500 . volume 18863 8
11 22832394.0000 . height 18863 8
11 181072582.0000 . volume 18863 8
12 4261332.0000 . height 18863 8
12 31636684.2500 . volume 18863 8
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14 4311731.0000 . height 18863 8
14 29944981.0000 . volume 18863 8
15 4387904.5000 . height 18863 8
15 31453805.5000 . volume 18863 8
16 3577795.0000 . height 18863 8
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17 2920210.0000 . height 18863 8
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18 5175378.0000 . height 18863 8
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21 4247664.5000 . height 18863 8
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22 2226632.0000 . height 18863 8
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23 2028335.8750 . height 18863 8
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24 5806566.0000 . height 18863 8
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25 6667117.5000 . height 18863 8
25 43371773.0000 . volume 18863 8
26 9253503.0000 . height 18863 8
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27 7281559.5000 . height 18863 8
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28 11900953.0000 . height 18863 8
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29 6160317.5000 . height 18863 8
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30 3954617.2500 . height 18863 8
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31 18001942.1250 . volume 18863 8
32 3022813.2500 . height 18863 8
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33 2591741.7500 . height 18863 8
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34 14688561.0000 . height 18863 8
34 109021500.0000 . volume 18863 8
35 10357873.0000 . height 18863 8
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36 2730030.5000 . height 18863 8
36 22635038.5000 . volume 18863 8
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43 2536889.5000 . height 18863 8
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48 3020150.2500 . height 18863 8
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50 3067195.2500 . height 18863 8
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53 6198845.0000 . height 18863 8
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60 3035295.0000 . height 18863 8
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62 11330101.0000 . height 18863 8
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69 7086534.5000 . height 18863 8
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70 4518041.0000 . height 18863 8
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71 2888137.5000 . height 18863 8
71 21221151.1250 . volume 18863 8
72 5334183.5000 . height 18863 8
72 40116217.2500 . volume 18863 8
73 4599917.5000 . height 18863 8
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75 2426183.2500 . height 18863 8
75 20157871.0000 . volume 18863 8
76 2880945.7500 . height 18863 8
76 19411146.3750 . volume 18863 8
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77 24127475.8750 . volume 18863 8
78 2788309.5000 . height 18863 8
78 20538180.3750 . volume 18863 8
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80 14160093.0000 . height 18863 8
80 109268121.0000 . volume 18863 8
81 4854547.5000 . height 18863 8
81 40442199.5000 . volume 18863 8
82 12081926.0000 . height 18863 8
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83 2804410.0000 . height 18863 8
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84 3613171.7500 . height 18863 8
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88 3575502.2500 . height 18863 8
88 29137934.2500 . volume 18863 8
89 5261611.5000 . height 18863 8
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90 3427115.7500 . height 18863 8
90 24368773.5000 . volume 18863 8
91 2077025.0000 . height 18863 8
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92 2872650.0000 . height 18863 8
92 20151518.1250 . volume 18863 8
93 3922597.7500 . height 18863 8
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94 3736870.0000 . height 18863 8
94 25703544.2500 . volume 18863 8
95 1883562.8750 . height 18863 8
95 12796160.7500 . volume 18863 8
96 5851047.5000 . height 18863 8
96 38635021.5000 . volume 18863 8
97 3637888.7500 . height 18863 8
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98 5437822.5000 . height 18863 8
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99 2353808.2500 . height 18863 8
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100 2586441.2500 . height 18863 8
100 18417067.3750 . volume 18863 8
101 12446596.0000 . height 18863 8
101 91013924.5000 . volume 18863 8
102 2181986.5000 . height 18863 8
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103 4427950.5000 . height 18863 8
103 35551198.2500 . volume 18863 8
104 10306135.0000 . height 18863 8
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108 2082166.8750 . height 18863 8
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110 2934346.5000 . height 18863 8
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131 2504482.5000 . height 18863 8
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133 26427093.0000 . volume 18863 8
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135 2296878.0000 . height 18863 8
135 15535790.5000 . volume 18863 8
136 1807183.0000 . height 18863 8
136 12265456.6875 . volume 18863 8
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140 1771048.5000 . height 18863 8
140 10523687.3281 . volume 18863 8
141 3310528.2500 . height 18863 8
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142 3315536.2500 . height 18863 8
142 26462925.2500 . volume 18863 8
143 2117090.5000 . height 18863 8
143 15623284.0000 . volume 18863 8
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 7.356 . . . . . . . . . . . . 8 18863 8
1 2 4.496 . . . . . . . . . . . . 8 18863 8
2 1 7.041 . . . . . . . . . . . . 8 18863 8
2 2 4.497 . . . . . . . . . . . . 8 18863 8
12 1 6.898 . . . . . . . . . . . . 8 18863 8
12 2 4.171 . . . . . . . . . . . . 8 18863 8
29 1 7.123 . . . . . . . . . . . . 8 18863 8
29 2 3.774 . . . . . . . . . . . . 8 18863 8
36 1 6.911 . . . . . . . . . . . . 8 18863 8
36 2 4.006 . . . . . . . . . . . . 8 18863 8
40 1 6.610 . . . . . . . . . . . . 8 18863 8
40 2 3.957 . . . . . . . . . . . . 8 18863 8
53 1 7.357 . . . . . . . . . . . . 8 18863 8
53 2 3.210 . . . . . . . . . . . . 8 18863 8
68 1 6.898 . . . . . . . . . . . . 8 18863 8
68 2 2.854 . . . . . . . . . . . . 8 18863 8
69 1 6.610 . . . . . . . . . . . . 8 18863 8
69 2 3.169 . . . . . . . . . . . . 8 18863 8
72 1 6.565 . . . . . . . . . . . . 8 18863 8
72 2 3.036 . . . . . . . . . . . . 8 18863 8
79 1 6.609 . . . . . . . . . . . . 8 18863 8
79 2 2.867 . . . . . . . . . . . . 8 18863 8
80 1 6.795 . . . . . . . . . . . . 8 18863 8
80 2 2.821 . . . . . . . . . . . . 8 18863 8
85 1 7.027 . . . . . . . . . . . . 8 18863 8
85 2 2.757 . . . . . . . . . . . . 8 18863 8
87 1 7.113 . . . . . . . . . . . . 8 18863 8
87 2 2.755 . . . . . . . . . . . . 8 18863 8
106 1 6.799 . . . . . . . . . . . . 8 18863 8
106 2 1.258 . . . . . . . . . . . . 8 18863 8
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 7.356 . . 1 . 1 1 67 TRP HE3 . . . . . . . . . . 470 . 18863 8
1 2 1 . . 4.496 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 8
2 1 1 . . 7.041 . . 1 . 1 1 67 TRP HD1 . . . . . . . . . . 483 . 18863 8
2 2 1 . . 4.497 . . 1 . 1 1 67 TRP HA . . . . . . . . . . 362 . 18863 8
12 1 1 . . 6.898 . . 1 . 1 1 81 TYR QD . . . . . . . . . . 722 . 18863 8
12 2 1 . . 4.171 . . 1 . 1 1 81 TYR HA . . . . . . . . . . 378 . 18863 8
29 1 1 . . 7.123 . . 1 . 1 1 41 PHE QD . . . . . . . . . . 625 . 18863 8
29 1 2 . . 7.123 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 8
29 2 1 . . 3.774 . . 1 . 1 1 58 GLY HA3 . . . . . . . . . . 430 . 18863 8
29 2 2 . . 3.774 . . 1 . 1 1 40 SER HA . . . . . . . . . . 311 . 18863 8
36 1 1 . . 6.911 . . 1 . 1 1 63 PHE HZ . . . . . . . . . . 674 . 18863 8
36 2 1 . . 4.006 . . 1 . 1 1 31 SER HB2 . . . . . . . . . . 278 . 18863 8
36 2 2 . . 4.006 . . 1 . 1 1 59 ALA HA . . . . . . . . . . 342 . 18863 8
40 1 1 . . 6.610 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8
40 2 1 . . 3.957 . . 1 . 1 1 49 TRP HA . . . . . . . . . . 324 . 18863 8
40 2 2 . . 3.957 . . 1 . 1 1 48 ALA HA . . . . . . . . . . 411 . 18863 8
40 2 3 . . 3.957 . . 1 . 1 1 52 LYS HA . . . . . . . . . . 330 . 18863 8
40 2 4 . . 3.957 . . 1 . 1 1 50 TYR HA . . . . . . . . . . 326 . 18863 8
53 1 1 . . 7.357 . . 1 . 1 1 67 TRP HE3 . . . . . . . . . . 470 . 18863 8
53 2 1 . . 3.210 . . 1 . 1 1 67 TRP HB3 . . . . . . . . . . 686 . 18863 8
53 2 2 . . 3.210 . . 1 . 1 1 67 TRP HB2 . . . . . . . . . . 364 . 18863 8
68 1 1 . . 6.898 . . 1 . 1 1 49 TRP HZ3 . . . . . . . . . . 738 . 18863 8
68 2 1 . . 2.854 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 8
69 1 1 . . 6.610 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8
69 2 1 . . 3.169 . . 1 . 1 1 49 TRP HB2 . . . . . . . . . . 414 . 18863 8
72 1 1 . . 6.565 . . 1 . 1 1 61 TYR QE . . . . . . . . . . 667 . 18863 8
72 2 1 . . 3.036 . . 1 . 1 1 61 TYR HB2 . . . . . . . . . . 664 . 18863 8
79 1 1 . . 6.609 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 8
79 2 1 . . 2.867 . . 1 . 1 1 49 TRP HB3 . . . . . . . . . . 416 . 18863 8
80 1 1 . . 6.795 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 8
80 2 1 . . 2.821 . . 1 . 1 1 63 PHE HB3 . . . . . . . . . . 669 . 18863 8
80 2 2 . . 2.821 . . 1 . 1 1 63 PHE HB2 . . . . . . . . . . 437 . 18863 8
85 1 1 . . 7.027 . . 1 . 1 1 45 PHE QE . . . . . . . . . . 756 . 18863 8
85 2 1 . . 2.757 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 8
87 1 1 . . 7.113 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 8
87 2 1 . . 2.755 . . 1 . 1 1 45 PHE HB3 . . . . . . . . . . 745 . 18863 8
106 1 1 . . 6.799 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 8
106 2 1 . . 1.258 . . 1 . 1 1 62 ALA MB . . . . . . . . . . 435 . 18863 8
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